Cas no 92018-48-9 (Isoamyl α-Bromophenylacetate)

Isoamyl α-Bromophenylacetate is a brominated ester compound characterized by its distinct molecular structure, combining an isoamyl alcohol moiety with a brominated phenylacetate group. This compound is primarily utilized in organic synthesis, particularly as an intermediate in the preparation of pharmaceuticals, fragrances, and specialty chemicals. Its reactive α-bromo substituent makes it valuable for nucleophilic substitution reactions, enabling the introduction of phenylacetate derivatives into target molecules. The isoamyl group enhances solubility in organic solvents, facilitating its use in various reaction conditions. Careful handling is required due to its potential reactivity and sensitivity to moisture. The compound is typically supplied with high purity to ensure consistent performance in synthetic applications.
Isoamyl α-Bromophenylacetate structure
Isoamyl α-Bromophenylacetate structure
Product Name:Isoamyl α-Bromophenylacetate
CAS No:92018-48-9
MF:C13H17BrO2
MW:285.176883459091
CID:806946
PubChem ID:294567
Update Time:2025-05-21

Isoamyl α-Bromophenylacetate Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, a-bromo-, 3-methylbutyl ester
    • 3-methylbutyl 2-bromo-2-phenylacetate
    • ISOAMYL ALPHA-BROMOPHENYLACETATE
    • DTXSID10303897
    • NSC163347
    • NSC-163347
    • 92018-48-9
    • AKOS024332278
    • 3-methylbutyl bromo(phenyl)acetate
    • Isoamyl α-Bromophenylacetate
    • Inchi: 1S/C13H17BrO2/c1-10(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
    • InChI Key: CKPGTYLPMYKUDW-UHFFFAOYSA-N
    • SMILES: BrC(C1C=CC=CC=1)C(=O)OCCC(C)C

Computed Properties

  • Exact Mass: 284.041
  • Monoisotopic Mass: 284.041
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 210
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.281
  • Boiling Point: 313.5°Cat760mmHg
  • Flash Point: 143.4°C
  • Refractive Index: 1.527

Isoamyl α-Bromophenylacetate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
I780063-250mg
Isoamyl α-Bromophenylacetate
92018-48-9
250mg
$ 70.00 2022-06-02
TRC
I780063-500mg
Isoamyl α-Bromophenylacetate
92018-48-9
500mg
$ 95.00 2022-06-02
TRC
I780063-2.5g
Isoamyl α-Bromophenylacetate
92018-48-9
2.5g
$ 365.00 2022-06-02

Isoamyl α-Bromophenylacetate Related Literature

Additional information on Isoamyl α-Bromophenylacetate

Introduction to Isoamyl α-Bromophenylacetate (CAS No: 92018-48-9)

Isoamyl α-Bromophenylacetate (CAS No: 92018-48-9) is a compound of significant interest in the fields of organic chemistry and materials science. This compound, also referred to as α-bromophenylacetate isoamyl ester, has been the subject of extensive research due to its unique chemical properties and potential applications in various industries. The structure of this compound consists of an isoamyl group attached to an α-bromo phenyl acetate moiety, which contributes to its reactivity and versatility in chemical reactions.

The synthesis of Isoamyl α-Bromophenylacetate involves a multi-step process that typically begins with the bromination of phenol derivatives, followed by esterification with isoamyl alcohol. Recent advancements in catalytic methods have improved the efficiency and selectivity of these reactions, making the production of this compound more sustainable and cost-effective. Researchers have also explored the use of microwave-assisted synthesis, which has shown promising results in terms of reaction time and yield.

In terms of applications, Isoamyl α-Bromophenylacetate has found utility in the pharmaceutical industry as an intermediate in drug synthesis. Its bromine atom makes it a valuable substrate for nucleophilic substitution reactions, which are critical in the development of bioactive molecules. For instance, studies have demonstrated its use in the synthesis of β-lactam antibiotics, where it serves as a key intermediate in forming the core structure of these drugs.

Beyond pharmaceuticals, this compound has also been investigated for its potential in materials science. The phenolic group in Isoamyl α-Bromophenylacetate can undergo various polymerization reactions, leading to the formation of high-performance polymers with applications in electronics and advanced materials. Recent research has focused on incorporating this compound into polyurethane formulations, resulting in materials with enhanced mechanical properties and thermal stability.

The chemical stability of Isoamyl α-Bromophenylacetate is another area that has garnered attention from scientists. Studies have shown that under certain conditions, such as high temperatures or exposure to light, the compound can undergo degradation, releasing bromine-containing byproducts. Understanding these degradation pathways is crucial for ensuring safe handling and storage practices in industrial settings.

In conclusion, Isoamyl α-Bromophenylacetate (CAS No: 92018-48-9) is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical structure and reactivity make it an invaluable tool in drug development and materials science. As research continues to uncover new synthetic methods and applications for this compound, its role in advancing technology and medicine is expected to grow significantly.

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